3-[[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide

C24H20FN3O6S — CID 46652482

IUPAC3-[[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3oc4c(F)cccc4c3C)c2)cc1
InChIInChI=1S/C24H20FN3O6S/c1-14-19-7-4-8-20(25)22(19)34-21(14)24(30)27-26-23(29)15-5-3-6-18(13-15)35(31,32)28-16-9-11-17(33-2)12-10-16/h3-13,28H,1-2H3,(H,26,29)(H,27,30)
InChIKeyUSYWXOZGIZBQJV-UHFFFAOYSA-N
MW497.50 g/mol
LogP3.76
Rot. Bonds6

About 3-[[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide

3-[[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 46652482) has the molecular formula C24H20FN3O6S and a molecular weight of 497.50 g/mol. Its IUPAC name is 3-[[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID46652482
Molecular FormulaC24H20FN3O6S
Molecular Weight497.50 g/mol
Exact Mass497.11
IUPAC Name3-[[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3oc4c(F)cccc4c3C)c2)cc1
InChIInChI=1S/C24H20FN3O6S/c1-14-19-7-4-8-20(25)22(19)34-21(14)24(30)27-26-23(29)15-5-3-6-18(13-15)35(31,32)28-16-9-11-17(33-2)12-10-16/h3-13,28H,1-2H3,(H,26,29)(H,27,30)
InChIKeyUSYWXOZGIZBQJV-UHFFFAOYSA-N
XLogP3.76
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.50
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[(3,5-difluorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46652429
N-(4-methoxyphenyl)-3-[[[4-(trifluoromethyl)benzoyl]amino]carbamoyl]benzenesulfonamide
CID 46652595
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
3-[[(2,3-dichlorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 27678550
3-[[(2-chloropyridine-4-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46638038
N-(4-methoxyphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 27662148
4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 6611513
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]benzenesulfonamide
CID 46462711
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 51210790
1-(2-chloroethyl)-3-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]urea
CID 2327322
N-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 30828589

Frequently Asked Questions

What is the IUPAC name of 3-[[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-[[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide (CID 46652482) is 3-[[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-[[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-[[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3oc4c(F)cccc4c3C)c2)cc1.
What is the InChIKey of 3-[[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is USYWXOZGIZBQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O6S/c1-14-19-7-4-8-20(25)22(19)34-21(14)24(30)27-26-23(29)15-5-3-6-18(13-15)35(31,32)28-16-9-11-17(33-2)12-10-16/h3-13,28H,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 3-[[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide?
3-[[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 497.50 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 46652482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).